N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C14H15FN2O2S — CID 9268623

IUPACN-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-10-9-20-14(19)17(10)7-6-13(18)16-8-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyCOCFPBUHMRUYMX-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.06
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 9268623) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID9268623
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC NameN-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C14H15FN2O2S/c1-10-9-20-14(19)17(10)7-6-13(18)16-8-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18)
InChIKeyCOCFPBUHMRUYMX-UHFFFAOYSA-N
XLogP2.06
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 9268623) is N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is COCFPBUHMRUYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-10-9-20-14(19)17(10)7-6-13(18)16-8-11-2-4-12(15)5-3-11/h2-5,9H,6-8H2,1H3,(H,16,18).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 294.35 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 9268623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).